[1-[(2-cyano-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [1-[(2-cyano-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [1-(2-cyano-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyano-4-nitroanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H15N3O6/c1-10-4-3-5-14(16(10)22)18(24)27-11(2)17(23)20-15-7-6-13(21(25)26)8-12(15)9-19/h3-8,11,22H,1-2H3,(H,20,23)